N-[3-[2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]phenyl]acetamide

C24H26N6O3 — CID 134810049

IUPACN-[3-[2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc(N3CCOCC3)cc3c2CN(Cc2cnn(C)c2)C3=O)c1
InChIInChI=1S/C24H26N6O3/c1-16(31)26-19-5-3-4-18(10-19)23-21-15-30(14-17-12-25-28(2)13-17)24(32)20(21)11-22(27-23)29-6-8-33-9-7-29/h3-5,10-13H,6-9,14-15H2,1-2H3,(H,26,31)
InChIKeyZAIUDARNHUXRLT-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.43
Rot. Bonds5

About N-[3-[2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]phenyl]acetamide

N-[3-[2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]phenyl]acetamide (PubChem CID 134810049) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-[3-[2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]phenyl]acetamide
PubChem CID134810049
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC NameN-[3-[2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc(N3CCOCC3)cc3c2CN(Cc2cnn(C)c2)C3=O)c1
InChIInChI=1S/C24H26N6O3/c1-16(31)26-19-5-3-4-18(10-19)23-21-15-30(14-17-12-25-28(2)13-17)24(32)20(21)11-22(27-23)29-6-8-33-9-7-29/h3-5,10-13H,6-9,14-15H2,1-2H3,(H,26,31)
InChIKeyZAIUDARNHUXRLT-UHFFFAOYSA-N
XLogP2.43
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-[2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]phenyl]acetamide (CID 134810049) is N-[3-[2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2nc(N3CCOCC3)cc3c2CN(Cc2cnn(C)c2)C3=O)c1.
What is the InChIKey of N-[3-[2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]phenyl]acetamide?
The InChIKey is ZAIUDARNHUXRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-16(31)26-19-5-3-4-18(10-19)23-21-15-30(14-17-12-25-28(2)13-17)24(32)20(21)11-22(27-23)29-6-8-33-9-7-29/h3-5,10-13H,6-9,14-15H2,1-2H3,(H,26,31).
What are the key properties of N-[3-[2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]phenyl]acetamide?
N-[3-[2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]phenyl]acetamide has a molecular weight of 446.51 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]phenyl]acetamide is sourced from PubChem (CID 134810049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).